5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine

C8H8BrFN2 — CID 144889523

IUPAC5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine
SMILESC=C(F)c1c(Br)cncc1NC
InChIInChI=1S/C8H8BrFN2/c1-5(10)8-6(9)3-12-4-7(8)11-2/h3-4,11H,1H2,2H3
InChIKeyMIWUEKDSRKOLTP-UHFFFAOYSA-N
MW231.07 g/mol
LogP2.83
Rot. Bonds2

About 5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine

5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine (PubChem CID 144889523) has the molecular formula C8H8BrFN2 and a molecular weight of 231.07 g/mol. Its IUPAC name is 5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine
PubChem CID144889523
Molecular FormulaC8H8BrFN2
Molecular Weight231.07 g/mol
Exact Mass229.99
IUPAC Name5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine
SMILESC=C(F)c1c(Br)cncc1NC
InChIInChI=1S/C8H8BrFN2/c1-5(10)8-6(9)3-12-4-7(8)11-2/h3-4,11H,1H2,2H3
InChIKeyMIWUEKDSRKOLTP-UHFFFAOYSA-N
XLogP2.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.07
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine?
The IUPAC name of 5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine (CID 144889523) is 5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine is C=C(F)c1c(Br)cncc1NC.
What is the InChIKey of 5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine?
The InChIKey is MIWUEKDSRKOLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2/c1-5(10)8-6(9)3-12-4-7(8)11-2/h3-4,11H,1H2,2H3.
What are the key properties of 5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine?
5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine has a molecular weight of 231.07 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-fluoroethenyl)-N-methylpyridin-3-amine is sourced from PubChem (CID 144889523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).